SCHEMBL9836642

SCHEMBL9836642

CC=C(C)C(OC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 4/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 3/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 5/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA7 P36544 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9836232 0.90 L3MBTL1 (0.48) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL27676769 0.90 KMT2A (0.49) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL9836242 0.89 KMT2A (0.47) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL9837008 0.88 L3MBTL1 (0.48) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL9837102 0.88 KMT2A (0.49) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL27315903 0.80 KMT2A (0.56) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL27325179 0.80 KMT2A (0.50) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL9834379 0.79 MAPT (0.52) KMT2ACYP1A2CYP2C19MAPTMEN1
SCHEMBL9837437 0.74 LMNA (0.33) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL10560773 0.74 TDP1 (0.46) KMT2ACYP1A2CYP2C19MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed